Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands

Models for adsorption of aromatics on hydrodesulfurization catalysts

Moon-Gun Choi, Robert J. Angelici

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Deep hydrodesulfurization (HDS) of petroleum feedstocks is becoming more important and necessary worldwide as governments reduce further sulfur levels diesel and gasoline fuels. After initial hydrotreatment, the main refractory sulfur compounds remaining are dibezothiophene (DBT) derivatives which make deep hydrodesulfurization difficult. The influence of nitrogen compounds and aromatic species on HDS catalyst activity becomes more significant under deep hydrodesulfurization conditions. It is of great interest to have a better knowledge of the binding of refractory sulfur compounds and other aromatic components, such as nitrogen compounds and polyaromatic species, to metal sites on the catalyst. Equilibrium constants for the displacement of DBT in [CpRu(η6-DBT)](PF6) with a series of nitrogen cyclic compounds and polyaromatic species (L) were measured in order to understand the inhibitory effects of nitrogen and aromatic species on hydrodesulfurization reactions. The relative binding strengths decrease in the order mesitylene > toluene > (3-Me)indole - tetrahydronaphthalene > indole > carbazole - (3-Et)carbazole > benzene > fluorene - (3,6-(t-Bu)2)carbazole > biphenyl > (4,6-Et2)DBT > phenanthrene > (2-Me)naphthalene - (1-Me)naphthalene - naphthalene > (3,6-Br2)carbazole. These results will be discussed in the context of their tendencies to inhibit HDS reactions.

Original languageEnglish
Title of host publication233rd ACS National Meeting, Abstracts of Scientific Papers
Publication statusPublished - 2007 Dec 28
Event233rd ACS National Meeting - Chicago, IL, United States
Duration: 2007 Mar 252007 Mar 29

Other

Other233rd ACS National Meeting
CountryUnited States
CityChicago, IL
Period07/3/2507/3/29

Fingerprint

Hydrodesulfurization
Ligands
Adsorption
Catalysts
Nitrogen Compounds
Sulfur Compounds
Refractory materials
Nitrogen
Tetrahydronaphthalenes
Equilibrium constants
Petroleum
Toluene
Benzene
Sulfur
Feedstocks
Gasoline
Catalyst activity
Metals
Derivatives
carbazole

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Choi, M-G., & Angelici, R. J. (2007). Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands: Models for adsorption of aromatics on hydrodesulfurization catalysts. In 233rd ACS National Meeting, Abstracts of Scientific Papers
Choi, Moon-Gun ; Angelici, Robert J. / Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands : Models for adsorption of aromatics on hydrodesulfurization catalysts. 233rd ACS National Meeting, Abstracts of Scientific Papers. 2007.
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abstract = "Deep hydrodesulfurization (HDS) of petroleum feedstocks is becoming more important and necessary worldwide as governments reduce further sulfur levels diesel and gasoline fuels. After initial hydrotreatment, the main refractory sulfur compounds remaining are dibezothiophene (DBT) derivatives which make deep hydrodesulfurization difficult. The influence of nitrogen compounds and aromatic species on HDS catalyst activity becomes more significant under deep hydrodesulfurization conditions. It is of great interest to have a better knowledge of the binding of refractory sulfur compounds and other aromatic components, such as nitrogen compounds and polyaromatic species, to metal sites on the catalyst. Equilibrium constants for the displacement of DBT in [CpRu(η6-DBT)](PF6) with a series of nitrogen cyclic compounds and polyaromatic species (L) were measured in order to understand the inhibitory effects of nitrogen and aromatic species on hydrodesulfurization reactions. The relative binding strengths decrease in the order mesitylene > toluene > (3-Me)indole - tetrahydronaphthalene > indole > carbazole - (3-Et)carbazole > benzene > fluorene - (3,6-(t-Bu)2)carbazole > biphenyl > (4,6-Et2)DBT > phenanthrene > (2-Me)naphthalene - (1-Me)naphthalene - naphthalene > (3,6-Br2)carbazole. These results will be discussed in the context of their tendencies to inhibit HDS reactions.",
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Choi, M-G & Angelici, RJ 2007, Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands: Models for adsorption of aromatics on hydrodesulfurization catalysts. in 233rd ACS National Meeting, Abstracts of Scientific Papers. 233rd ACS National Meeting, Chicago, IL, United States, 07/3/25.

Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands : Models for adsorption of aromatics on hydrodesulfurization catalysts. / Choi, Moon-Gun; Angelici, Robert J.

233rd ACS National Meeting, Abstracts of Scientific Papers. 2007.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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N2 - Deep hydrodesulfurization (HDS) of petroleum feedstocks is becoming more important and necessary worldwide as governments reduce further sulfur levels diesel and gasoline fuels. After initial hydrotreatment, the main refractory sulfur compounds remaining are dibezothiophene (DBT) derivatives which make deep hydrodesulfurization difficult. The influence of nitrogen compounds and aromatic species on HDS catalyst activity becomes more significant under deep hydrodesulfurization conditions. It is of great interest to have a better knowledge of the binding of refractory sulfur compounds and other aromatic components, such as nitrogen compounds and polyaromatic species, to metal sites on the catalyst. Equilibrium constants for the displacement of DBT in [CpRu(η6-DBT)](PF6) with a series of nitrogen cyclic compounds and polyaromatic species (L) were measured in order to understand the inhibitory effects of nitrogen and aromatic species on hydrodesulfurization reactions. The relative binding strengths decrease in the order mesitylene > toluene > (3-Me)indole - tetrahydronaphthalene > indole > carbazole - (3-Et)carbazole > benzene > fluorene - (3,6-(t-Bu)2)carbazole > biphenyl > (4,6-Et2)DBT > phenanthrene > (2-Me)naphthalene - (1-Me)naphthalene - naphthalene > (3,6-Br2)carbazole. These results will be discussed in the context of their tendencies to inhibit HDS reactions.

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Choi M-G, Angelici RJ. Equlibrium studies of [CpRu(η6-DBT)]+ with various aromatic ligands: Models for adsorption of aromatics on hydrodesulfurization catalysts. In 233rd ACS National Meeting, Abstracts of Scientific Papers. 2007